Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.42 |
| ▸ | LTA4H | P09960 | 4/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | DRD1 | P21728 | 1/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | PSMB1 | P20618 | 3/20 | 0.40 |
| ▸ | PSMB5 | P28074 | 3/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13559776 | 0.80 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2HRH3LTA4HDRD3 | |
| SCHEMBL13506097 | 0.78 | SIGMAR1 (0.42) | ALDH1A1SMN1; SMN2HRH3LTA4HKDM4E | |
| SCHEMBL20962670 | 0.78 | TSHR (0.41) | ALDH1A1SMN1; SMN2KDM4ETSHR | |
| SCHEMBL2734116 | 0.77 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL13656337 | 0.77 | ALDH1A1 (0.49) | ALDH1A1SMN1; SMN2HRH3CHRM2HTR1A | |
| SCHEMBL4524258 | 0.77 | LTA4H (0.38) | ALDH1A1SMN1; SMN2HRH3LTA4HPSMB1 | |
| SCHEMBL14967455 | 0.77 | NPC1 (0.34) | ALDH1A1SMN1; SMN2HRH3HTR1AKCNH2 | |
| SCHEMBL28106774 | 0.76 | KDM4E (0.35) | ALDH1A1HRH3SLC6A4SLC6A3KDM4E | |
| SCHEMBL19346333 | 0.75 | CARM1 (0.46) | ALDH1A1HRH3ACHEKDM4E | |
| SCHEMBL14967457 | 0.75 | KCNA3 (0.38) | ALDH1A1HRH3LTA4HACHENPC1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020021447-A1 | NLRP3 INFLAMMASOME INHIBITORS | NOVARTIS AG (CH) | 2020-01-30 | — | — | WO | disclosed |